کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1814629 | 1525259 | 2007 | 6 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Si-coated single-walled carbon nanotubes under axial loads: An atomistic simulation study Si-coated single-walled carbon nanotubes under axial loads: An atomistic simulation study](/preview/png/1814629.png)
The mechanical properties of the Si-coated imperfect (5, 5) single-walled carbon nanotube (SWCNT), the imperfect (5, 5) SWCNT and several perfect armchair SWCNTs under axial loads were investigated using molecular dynamics simulation. The interactions between atoms were modeled using the empirical Tersoff potential and the Tersoff–Brenner potential coupled with the Lennard–Jones potential. We get Young's modulus of the defective (5, 5) nanotube with and without the Si coating under axial tension 1107.92 and 1076.02 GPa, respectively. The results also show that the structure failure of the Si-coated imperfect (5, 5) SWCNT under axial compression occurs at a slightly higher strain than for the perfect (5, 5) SWCNT. Therefore, we can confirm the protective effect of Si as a coating material for defective SWCNTs. We also obtain the critical buckling strains of perfect SWCNTs.
Journal: Physica B: Condensed Matter - Volume 393, Issues 1–2, 30 April 2007, Pages 217–222